1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C22H26N4O2 — CID 120731708

IUPAC1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCc1ccc(N2CC(C(=O)N3CCNCC3c3cccnc3)CC2=O)cc1
InChIInChI=1S/C22H26N4O2/c1-2-16-5-7-19(8-6-16)26-15-18(12-21(26)27)22(28)25-11-10-24-14-20(25)17-4-3-9-23-13-17/h3-9,13,18,20,24H,2,10-12,14-15H2,1H3
InChIKeyFNCCLYBABCOTLK-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.17
Rot. Bonds4

About 1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 120731708) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID120731708
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCc1ccc(N2CC(C(=O)N3CCNCC3c3cccnc3)CC2=O)cc1
InChIInChI=1S/C22H26N4O2/c1-2-16-5-7-19(8-6-16)26-15-18(12-21(26)27)22(28)25-11-10-24-14-20(25)17-4-3-9-23-13-17/h3-9,13,18,20,24H,2,10-12,14-15H2,1H3
InChIKeyFNCCLYBABCOTLK-UHFFFAOYSA-N
XLogP2.17
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731706
1-(3,5-difluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120732465
1-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120729616
1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 119471488
1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731172
1-tert-butyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120732530
1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731176
3-(4-ethylphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731922
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120741572
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770
2-(4-butylphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730121

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 120731708) is 1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one is CCc1ccc(N2CC(C(=O)N3CCNCC3c3cccnc3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is FNCCLYBABCOTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-16-5-7-19(8-6-16)26-15-18(12-21(26)27)22(28)25-11-10-24-14-20(25)17-4-3-9-23-13-17/h3-9,13,18,20,24H,2,10-12,14-15H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 378.48 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 120731708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).